2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C8H12N4OS MolecularWeight: 212.27208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NNC(=N2)N

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NNC(=N2)N

InChI

InChI=1S/C8H12N4OS/c9-7-10-8(12-11-7)14-6-4-2-1-3-5(6)13/h6H,1-4H2,(H3,9,10,11,12)